- InChI
- InChI=1S/C18H29NO4/c1-3-5-10-14-22-17(20)16(15-11-8-7-9-12-15)19-18(21)23-13-6-4-2/h2,15-16H,3,5-14H2,1H3,(H,19,21)
- InChI Key
- RKUNYJBXDDGATK-UHFFFAOYSA-N
- Formula
- C18H29NO4
- SMILES
-
C#CCCOC(O)=NC(C(=O)OCCCCC)C1CC
CCC1 - Molecular Weight1
- 323.43
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.9045 | Relay (... Calculated Property | |
| ΔfG° | -75.94 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -737.96 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 111.95 | kJ/mol | Relay (... Calculated Property |
| IE | 9.04 | eV | Relay (... Calculated Property |
| log10WS | -4.09 | Relay (... Calculated Property | |
| logPoct/wat | 3.623 | Crippen Calculated Property | |
| McVol | 269.880 | ml/mol | McGowan Calculated Property |
| Pc | 1521.12 | kPa | Joback Calculated Property |
| Tboil | 648.40 | K | Relay (... Calculated Property |
| Tc | 843.55 | K | Relay (... Calculated Property |
| Tfus | 348.58 | K | Relay (... Calculated Property |
| Vc | 0.919 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Glycine, 2-cyclohexyl-N-(but-3-yn-1-yl)oxycarbonyl-, pentyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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